SCHEMBL6151977

SCHEMBL6151977

COc1cc(Oc2ccc(C(=O)O)cc2CN(C)C(=O)OC(C)(C)C)ccc1SC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.40
TTR P02766 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A2 P23975 5/20 0.37
SLC6A3 Q01959 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
TPMT P51580 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6152060 0.87 SLC6A4 (0.40) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL6152065 0.85 SLC6A4 (0.47) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL6151370 0.80 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL6152028 0.77 SLC6A4 (0.59) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL15862233 0.76 HTR2C (0.41) SLC6A4MEN1KMT2ACA12CA1
SCHEMBL6947234 0.76 SLC6A4 (0.65) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL7213362 0.76 SLC6A4 (0.51) SLC6A4TTRMEN1KMT2ASLC6A2
SCHEMBL7207148 0.75 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL15624358 0.73 KMT2A (0.55) MEN1KMT2AALDH1A1TDP1LMNA
SCHEMBL27811149 0.73 HTR2C (0.39) SLC6A4MEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268396-B1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-07-20 EP disclosed
US-6448293-B1 TREATMENT OR PREVENTION OF A DISORDER IN WHICH THE REGULATION OF MONOAMINE TRANSPORTER FUNCTION IS IMPLICATED, SUCH AS PREMATURE EJACULATION. PFIZER INC. 2002-09-10 US disclosed
US-20020052395-A1 Diphenyl ether compounds useful in therapy ANDREWS MARK DAVID (GB) 2002-05-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020052395-A1 Diphenyl ether compounds useful in therapy CBR1, OGFR, CBR3 SLC6A4 2002/4885TTR 1758/4885MEN1 3590/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.